5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole

C8H6F2NP — CID 6326303

IUPAC5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole
SMILESCc1nc2c(F)cc(F)cc2[pH]1
InChIInChI=1S/C8H6F2NP/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3,12H,1H3
InChIKeyGUSJIMPCTIUSBX-UHFFFAOYSA-N
MW185.11 g/mol
LogP2.85
Rot. Bonds

About 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole

5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole (PubChem CID 6326303) has the molecular formula C8H6F2NP and a molecular weight of 185.11 g/mol. Its IUPAC name is 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole.

Molecular Properties

Compound Name5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole
PubChem CID6326303
Molecular FormulaC8H6F2NP
Molecular Weight185.11 g/mol
Exact Mass185.02
IUPAC Name5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole
SMILESCc1nc2c(F)cc(F)cc2[pH]1
InChIInChI=1S/C8H6F2NP/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3,12H,1H3
InChIKeyGUSJIMPCTIUSBX-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
CID 121236848
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
2-ethyl-6,8-difluoroquinoline
CID 51361067
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
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2,3-dichloro-5,7-difluoroquinoxaline
CID 82184445

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole?
The IUPAC name of 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole (CID 6326303) is 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole.
What is the SMILES notation for 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole?
The canonical SMILES for 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole is Cc1nc2c(F)cc(F)cc2[pH]1.
What is the InChIKey of 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole?
The InChIKey is GUSJIMPCTIUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2NP/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3,12H,1H3.
What are the key properties of 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole?
5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole has a molecular weight of 185.11 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole is sourced from PubChem (CID 6326303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).